Match Hartree energy
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356150013900000e+02 | 3.356149938300000e+02 | 8.410000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)